[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]-diethyl-ammonium CAS Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-diethylammonium IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]-diethylazanium Traditional Name: [2-[[3-carbethoxy-4-(3,4-dimethoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]-diethyl-ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC(=O)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

InChI=1S/C21H28N2O5S/c1-6-23(7-2)12-18(24)22-20-19(21(25)28-8-3)15(13-29-20)14-9-10-16(26-4)17(11-14)27-5/h9-11,13H,6-8,12H2,1-5H3,(H,22,24)/p+1